HRID287161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID1491355

1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

C12H11FN2O2

HCID17822734

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(OCC(C)(C)C)c(C#N)c1

HCID9910036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f44860f29794ebea9cf7edbb3f1710d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([CH3:17])[c:11]([C:14](=[O:15])[OH:16])[c:12]2[CH3:13])[cH:6][cH:7]1.[NH2:18][c:19]1[cH:20][cH:21][c:22]([O:27][CH2:28][C:29]([CH3:30])([CH3:31])[CH3:32])[c:23]([C:24]#[N:25])[cH:26]1.[OH2:50].[P:40]([C:41]#[N:42])([O:43][CH2:44][CH3:45])([O:46][CH2:47][CH3:48])=[O:49]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([CH3:17])[c:11]([C:14](=[O:16])[NH:18][c:19]3[cH:20][cH:21][c:22]([O:27][CH2:28][C:29]([CH3:30])([CH3:31])[CH3:32])[c:23]([C:24]#[N:25])[cH:26]3)[c:12]2[CH3:13])[cH:6][cH:7]1